imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone

C20H20N4O2 — CID 46846990

IUPACimidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(C(=O)c3cnc4ccccn34)cc2)CC1
InChIInChI=1S/C20H20N4O2/c1-22-10-12-23(13-11-22)20(26)16-7-5-15(6-8-16)19(25)17-14-21-18-4-2-3-9-24(17)18/h2-9,14H,10-13H2,1H3
InChIKeyKPQUTZRXAOIEHY-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.95
Rot. Bonds3

About imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone

imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone (PubChem CID 46846990) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
PubChem CID46846990
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Nameimidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(C(=O)c3cnc4ccccn34)cc2)CC1
InChIInChI=1S/C20H20N4O2/c1-22-10-12-23(13-11-22)20(26)16-7-5-15(6-8-16)19(25)17-14-21-18-4-2-3-9-24(17)18/h2-9,14H,10-13H2,1H3
InChIKeyKPQUTZRXAOIEHY-UHFFFAOYSA-N
XLogP1.95
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(imidazo[1,2-a]pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 97226980
3-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 46472728
(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571771
[4-(cyclopropylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 56888652
N-(cyclohexylmethyl)-N-(cyclopropylmethyl)-4-(imidazo[1,2-a]pyridine-3-carbonyl)benzamide
CID 163772430
(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571752
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
imidazo[1,2-a]pyridin-3-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457705
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
[4-(imidazo[1,2-a]pyridin-3-ylmethoxy)phenyl]-morpholin-4-ylmethanone
CID 162636193
3-[[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 44782803

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone?
The IUPAC name of imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone (CID 46846990) is imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone is CN1CCN(C(=O)c2ccc(C(=O)c3cnc4ccccn34)cc2)CC1.
What is the InChIKey of imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone?
The InChIKey is KPQUTZRXAOIEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-22-10-12-23(13-11-22)20(26)16-7-5-15(6-8-16)19(25)17-14-21-18-4-2-3-9-24(17)18/h2-9,14H,10-13H2,1H3.
What are the key properties of imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone?
imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 46846990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).